5-cyano-3-methoxycarbonyl-4-(2-methoxyphenyl)-6-methylthio-2-oxo-1,2,3,4-tetrahydropyridine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-cyano-3-methoxycarbonyl-4-(2-methoxyphenyl)-6-methylthio-2-oxo-1,2,3,4-tetrahydropyridine
• 英文别名: methyl (3R,4S)-5-cyano-4-(2-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
• 化学式: C₁₆H₁₆N₂O₄S
• 分子量: 332.38
• InChiKey: UXAFJMZOQXYMJY-QWHCGFSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-cyano-3-methoxycarbonyl-4-(2-methoxyphenyl)-6-methylthio-2-oxo-1,2,3,4-tetrahydropyridine 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 5-cyano-4-(2-methoxyphenyl)-6-methylthio-2-oxo-1,2,3,4-tetrahydropyridine
  参考文献：
  名称：

  N-Methylmorpholinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates: synthesis and properties

  摘要：

  Reactions of aromatic aldehydes with cyanothioacetamide and dimethyl malonate in the presence of N-methylmorpholine afforded N-methylmlorphoiinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates. The latter were used to synthesize substituted 6-(alkylthio)-2-oxo-1,2,3,4-tetrahydropyridines.

  DOI：

  10.1007/bf02494780
• 作为产物：
  描述：

  N-methylmorpholinium 5-cyano-3-methoxycarbonyl-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate 、 碘甲烷 以 乙醇 、 水 为溶剂， 反应 12.0h， 以75%的产率得到5-cyano-3-methoxycarbonyl-4-(2-methoxyphenyl)-6-methylthio-2-oxo-1,2,3,4-tetrahydropyridine
  参考文献：
  名称：

  N-Methylmorpholinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates: synthesis and properties

  摘要：

  Reactions of aromatic aldehydes with cyanothioacetamide and dimethyl malonate in the presence of N-methylmorpholine afforded N-methylmlorphoiinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates. The latter were used to synthesize substituted 6-(alkylthio)-2-oxo-1,2,3,4-tetrahydropyridines.

  DOI：

  10.1007/bf02494780

文献信息

• N-Methylmorpholinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates: synthesis and properties
  作者：S. G. Krivokolysko、V. D. Dyachenko、V. P. Litvinov

  DOI：10.1007/bf02494780

  日期：2000.3

  Reactions of aromatic aldehydes with cyanothioacetamide and dimethyl malonate in the presence of N-methylmorpholine afforded N-methylmlorphoiinium 4-aryl-5-cyano-3-methoxycarbonyl-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates. The latter were used to synthesize substituted 6-(alkylthio)-2-oxo-1,2,3,4-tetrahydropyridines.